1-[5-[4-[(dimethylamino)methyl]phenyl]-2-hydroxycyclohexyl]-2-(4-methylphenyl)ethanone

C24H31NO2 — CID 57039631

IUPAC1-[5-[4-[(dimethylamino)methyl]phenyl]-2-hydroxycyclohexyl]-2-(4-methylphenyl)ethanone
SMILESCc1ccc(CC(=O)C2CC(c3ccc(CN(C)C)cc3)CCC2O)cc1
InChIInChI=1S/C24H31NO2/c1-17-4-6-18(7-5-17)14-24(27)22-15-21(12-13-23(22)26)20-10-8-19(9-11-20)16-25(2)3/h4-11,21-23,26H,12-16H2,1-3H3
InChIKeyRVPQZYIEWTUVIX-UHFFFAOYSA-N
MW365.52 g/mol
LogP4.11
Rot. Bonds6

About 1-[5-[4-[(dimethylamino)methyl]phenyl]-2-hydroxycyclohexyl]-2-(4-methylphenyl)ethanone

1-[5-[4-[(dimethylamino)methyl]phenyl]-2-hydroxycyclohexyl]-2-(4-methylphenyl)ethanone (PubChem CID 57039631) has the molecular formula C24H31NO2 and a molecular weight of 365.52 g/mol. Its IUPAC name is 1-[5-[4-[(dimethylamino)methyl]phenyl]-2-hydroxycyclohexyl]-2-(4-methylphenyl)ethanone.

Molecular Properties

Compound Name1-[5-[4-[(dimethylamino)methyl]phenyl]-2-hydroxycyclohexyl]-2-(4-methylphenyl)ethanone
PubChem CID57039631
Molecular FormulaC24H31NO2
Molecular Weight365.52 g/mol
Exact Mass365.24
IUPAC Name1-[5-[4-[(dimethylamino)methyl]phenyl]-2-hydroxycyclohexyl]-2-(4-methylphenyl)ethanone
SMILESCc1ccc(CC(=O)C2CC(c3ccc(CN(C)C)cc3)CCC2O)cc1
InChIInChI=1S/C24H31NO2/c1-17-4-6-18(7-5-17)14-24(27)22-15-21(12-13-23(22)26)20-10-8-19(9-11-20)16-25(2)3/h4-11,21-23,26H,12-16H2,1-3H3
InChIKeyRVPQZYIEWTUVIX-UHFFFAOYSA-N
XLogP4.11
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.52
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[4-[4-[(Dimethylamino)methyl]phenyl]cyclohexyl] 3-(4-fluorophenyl)propanoate
CID 21843704
1-[5-[4-[(Dimethylamino)methyl]phenyl]-2-hydroxycyclohexyl]-2-(4-fluorophenyl)ethanone
CID 57100637
1-[5-[4-[(Dimethylamino)methyl]phenyl]-2-hydroxycyclohexyl]-3-(4-fluorophenyl)prop-2-en-1-one
CID 57209308
(2S,5R)-2-(dibenzylamino)-5-hydroxy-6-methyl-1-phenylheptan-3-one
CID 14945379
(2S,4S,5S)-2-(dibenzylamino)-5-hydroxy-4-methyl-1-phenylhexan-3-one
CID 101151796
(2S,4S,5S)-2-(dibenzylamino)-5-hydroxy-4-methyl-1-phenylheptan-3-one
CID 101151797
(2S,4S,5S)-2-(dibenzylamino)-5-hydroxy-4,6-dimethyl-1-phenylheptan-3-one
CID 101151798
(2S,4S,5R)-2-(dibenzylamino)-5-hydroxy-4,6-dimethyl-1-phenylhept-6-en-3-one
CID 101151799
(2S,5S)-2-(dibenzylamino)-5-hydroxy-6-methyl-1-phenylheptan-3-one
CID 134905083
[4-[4-[(Dimethylamino)methyl]phenyl]cyclohexyl] 2-cyclohexylacetate
CID 12971690
[4-[4-[(Dimethylamino)methyl]phenyl]cyclohexyl] 2-phenylpropanoate
CID 15284553
[4-[4-[(Dimethylamino)methyl]phenyl]cyclohexyl] 2-(4-methylphenyl)acetate
CID 15284556

Frequently Asked Questions

What is the IUPAC name of 1-[5-[4-[(dimethylamino)methyl]phenyl]-2-hydroxycyclohexyl]-2-(4-methylphenyl)ethanone?
The IUPAC name of 1-[5-[4-[(dimethylamino)methyl]phenyl]-2-hydroxycyclohexyl]-2-(4-methylphenyl)ethanone (CID 57039631) is 1-[5-[4-[(dimethylamino)methyl]phenyl]-2-hydroxycyclohexyl]-2-(4-methylphenyl)ethanone.
What is the SMILES notation for 1-[5-[4-[(dimethylamino)methyl]phenyl]-2-hydroxycyclohexyl]-2-(4-methylphenyl)ethanone?
The canonical SMILES for 1-[5-[4-[(dimethylamino)methyl]phenyl]-2-hydroxycyclohexyl]-2-(4-methylphenyl)ethanone is Cc1ccc(CC(=O)C2CC(c3ccc(CN(C)C)cc3)CCC2O)cc1.
What is the InChIKey of 1-[5-[4-[(dimethylamino)methyl]phenyl]-2-hydroxycyclohexyl]-2-(4-methylphenyl)ethanone?
The InChIKey is RVPQZYIEWTUVIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31NO2/c1-17-4-6-18(7-5-17)14-24(27)22-15-21(12-13-23(22)26)20-10-8-19(9-11-20)16-25(2)3/h4-11,21-23,26H,12-16H2,1-3H3.
What are the key properties of 1-[5-[4-[(dimethylamino)methyl]phenyl]-2-hydroxycyclohexyl]-2-(4-methylphenyl)ethanone?
1-[5-[4-[(dimethylamino)methyl]phenyl]-2-hydroxycyclohexyl]-2-(4-methylphenyl)ethanone has a molecular weight of 365.52 g/mol, XLogP of 4.11, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[4-[(dimethylamino)methyl]phenyl]-2-hydroxycyclohexyl]-2-(4-methylphenyl)ethanone is sourced from PubChem (CID 57039631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).